1-[benzyl(cyclopropyl)amino]-2-methylbutan-2-ol

C15H23NO — CID 130952113

IUPAC1-[benzyl(cyclopropyl)amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CN(Cc1ccccc1)C1CC1
InChIInChI=1S/C15H23NO/c1-3-15(2,17)12-16(14-9-10-14)11-13-7-5-4-6-8-13/h4-8,14,17H,3,9-12H2,1-2H3
InChIKeyLNJLUQZCLNSGLC-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.81
Rot. Bonds6

About 1-[benzyl(cyclopropyl)amino]-2-methylbutan-2-ol

1-[benzyl(cyclopropyl)amino]-2-methylbutan-2-ol (PubChem CID 130952113) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[benzyl(cyclopropyl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[benzyl(cyclopropyl)amino]-2-methylbutan-2-ol
PubChem CID130952113
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-[benzyl(cyclopropyl)amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CN(Cc1ccccc1)C1CC1
InChIInChI=1S/C15H23NO/c1-3-15(2,17)12-16(14-9-10-14)11-13-7-5-4-6-8-13/h4-8,14,17H,3,9-12H2,1-2H3
InChIKeyLNJLUQZCLNSGLC-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2'-((Phenylmethyl)imino)bisethanol
CID 7553
N-Benzyl-N-methylethanolamine
CID 66876
2-[2-Hydroxyethyl-[(4-methylphenyl)methyl]amino]ethanol
CID 4219208
(R)-2-(benzylamino)butan-1-ol
CID 927306
3-(N-Benzyl-N-methylamino)propan-1-ol
CID 79884
Benzyltriethylammonium hydroxide
CID 74601
2-Aziridinemethanol, 1-(phenylmethyl)-
CID 3047321
1-(Benzylamino)-2-methylpropan-2-ol
CID 12896476
(2S)-2-(benzylamino)butan-1-ol
CID 927305
Benzyl(2-hydroxyethyl)dimethylammonium chloride
CID 3014549
N-Benzyl-2-hydroxy-N,N-dimethylethan-1-aminium bromide
CID 10706443
2-(Benzyl-methyl-amino)-cyclohexanol
CID 13816598

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(cyclopropyl)amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[benzyl(cyclopropyl)amino]-2-methylbutan-2-ol (CID 130952113) is 1-[benzyl(cyclopropyl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[benzyl(cyclopropyl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[benzyl(cyclopropyl)amino]-2-methylbutan-2-ol is CCC(C)(O)CN(Cc1ccccc1)C1CC1.
What is the InChIKey of 1-[benzyl(cyclopropyl)amino]-2-methylbutan-2-ol?
The InChIKey is LNJLUQZCLNSGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-15(2,17)12-16(14-9-10-14)11-13-7-5-4-6-8-13/h4-8,14,17H,3,9-12H2,1-2H3.
What are the key properties of 1-[benzyl(cyclopropyl)amino]-2-methylbutan-2-ol?
1-[benzyl(cyclopropyl)amino]-2-methylbutan-2-ol has a molecular weight of 233.36 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(cyclopropyl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 130952113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).